Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.

Compound

	ID:	114
	Name:	Amiodarone hydrochloride
	Description:
	Labels:
	CAS:	19774-82-4
	InChi Code:	InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3

Properties

Agonists: Activity in AR agonist pathway

Value	Source or prediction
agonist	experimental value
agonist	Agonists_model: Agonist model (Training set)
agonist	Agonists_model: Agonist model (OOB)

Antagonists: Activity in AR antagonist pathway

Value	Source or prediction
antagonist	experimental value
antagonist	Antagonists_model: Antagonist model (Test set)

Binders: Activity in androgen receptor

Value	Source or prediction
binder	experimental value
binder	Binders_model: Binding model (Training set)
binder	Binders_model: Binding model (OOB)